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ARC integration into the NEAMS Workbench

One of the objectives of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line (IPL) is to facilitate the deployment of the high-fidelity codes developed within the program. The Workbench initiative was launched in FY-2017 by the IPL to facilitate the transition from conventional tools to high fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Optimizing Bifacial PV Systems (Q3 FY2020 Project Report)

This project has four main technical objectives. Develop and improve bifacial performance models by adding the capability to evaluate electrical behavior and performance of bifacial modules and arrays under realistic field conditions including irradiance variability caused by racking, module frame, and position in the array. Instrument and monitor performance of fielded bifacial systems to validate performance models and to measure, analyze and publish on bifacial energy gain. These should include both research and commercial bifacial systems and cover a variety of deployment applications. Evaluate optimal bifacial system designs using simulations leveraging high performance computing, and also using full sized and miniaturized experimental field deployments. Establish and contribute to international test standards for bifacial system performance, testing, and safety, and work with the community to establish installation and siting best practices.

14 SOLAR ENERGY↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

National Smart Manufacturing Strategic Plan: To Facilitate More Rapid Development, Deployment and Adoption of Smart Manufacturing Technologies

Smart manufacturing technologies provide real-time data and insight to improve the productivity, efficiency, and competitiveness of U.S. manufacturing, creating the potential for new jobs in the manufacturing sector. These technologies can support U.S. manufacturers’ ability to increase throughput and energy efficiency, and decrease waste, defects, and costs. A wide range of manufacturing and industrial subsectors, particularly energy-intensive and energy-dependent industries, have the potential to benefit from smart manufacturing technologies. There are technical improvements still needed to reduce the costs and barriers (trained workforce and upskilling, software-hardware integration, cost, and technical barriers to deployment of advanced sensors, computing, and communication technologies for existing manufacturing assets) to the adoption of smart manufacturing technologies, especially to small and medium-sized manufacturers, and subsequently, increase the overall adoption rate of smart manufacturing technologies. This report outlines the Department of Energy’s (DOE) strategic plan to accelerate the development and implementation of smart manufacturing technologies in the United States and the actions DOE has taken to use these technologies in smart manufacturing for the United States. DOE’s plan to facilitate more rapid development, deployment and widespread adoption of smart manufacturing technologies derive from the 2018 Strategy for American Leadership in Advanced Manufacturing. The strategy outlines a vision for America’s leadership in advanced manufacturing including the development of intelligent manufacturing systems to optimize manufacturing facilities and support the manufacturing of transformative materials. DOE’s Clean Energy Smart Manufacturing Innovation Institute (CESMII), a Manufacturing USA Institute, focuses on accelerating the development and adoption of advanced sensors, controls, platforms, and models needed for smart manufacturing. The objective is to enhance U.S. manufacturing productivity and global competitiveness through the research and development of these technologies. Smart manufacturing has the potential to improve the overall performance, energy productivity, and efficiency of manufacturing, fostering the economic competitiveness of the manufacturing sector.

99 GENERAL AND MISCELLANEOUS↗

Corrosion Testing of Refractory in Contact with Molten Glasses Designed for Waste Vitrification

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF). The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of High-Fidelity and Efficient Modeling Capabilities for Enabling Co-Optimization of Fuels and Multi-Mode Engines

The objective of this closely coordinated research project is to develop improved physical sub-models and innovative numerical algorithms to enable accurate and efficient predictions of multi-mode combustion to support EERE’s Co-Optima program. To this end, a research pro-gram is proposed that seeks • to develop accurate submodels for predicting multi-mode combustion regimes, wall-heat transfer, non-equilibrium plasma ignition, and combustion-mode transition, • to develop dynamic load-rebalancing algorithms and efficient semi-implicit time-integration schemes for enabling exascale computing, • to validate the computational submodels against experiments and direct numerical simulation (DNS) data in conjunction with sensitivity analysis, and • to support the direct transition of the resulting sub-models into other engine-simulation tools through the development of self-contained modules. All sub-models will be integrated into the open-source exascale engine-simulation platform Nek5000.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗

Corrosion Testing of Refractory in Contact with Molten Glasses Designed for Waste Vitrification - APPS1 Matrix Glasses

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF). The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Corrosion Testing of Refractory inContact with Molten Glasses Designed for Waste Vitrification - VSL Touchpoint Matrix Glasses

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF). The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests. Refractory corrosion is generally reported as physical material loss, measured in units of distance (e.g., inch) or as physical material loss rate, measured in units of distance per time (e.g., inch/day). In post-operational melters, the refractory corrosion is measured directly, sometimes reported as corrosion depth. Crucible tests are used in the laboratory to accelerate the refractory corrosion to facilitate a meaningful measurement in a commensurate amount of time. Crucible tests are particularly useful in understanding refractory corrosion across a large glass composition space, where operational testing would be prohibitive. Some of the critical parameters that are known to influence refractory corrosion by molten glass in a crucible test are temperature, system redox, molten salt phases, glass chemistry, and test duration. The majority of data collected for Monofrax® K-3 (hereafter referred to as K-3) corrosion is from crucible tests, but a small amount comes directly from scaled and production melters. Crucible test data has been collected under varying conditions, whereas data collected from operational melters is relatively fewer and represents conditions specific to the melter campaign. The result is that the published data can be grouped and analyzed in multiple ways, not all of which are readily comparable. The Standard Test Method for Isothermal Corrosion Resistance of Refractories to Molten Glass (ASTM C621) outlines the general guidelines used across industry. That method describes a sealed, static test in which the surface area of the refractory coupon and the volume of glass are fixed. A significant portion of the crucible data pertaining to nuclear waste glasses has been collected in a modified configuration; the most notable differences being the surface area of the refractory coupon to volume of the glass and use of a method for bubbling the melt. To our knowledge, the influence of those parameters on the refractory corrosion has not been quantified. In this work, it was determined that static tests and bubbled tests would be performed. Savannah River National Laboratory (SRNL) was tasked with setting up and performing static testing while PNNL was tasked with setting up and performing bubbled testing. Initial activities were performed to establish laboratory methods that reproduce data comparable to existing data sets of K-3 refractory corrosion by low activity waste (LAW) and high-level waste (HLW) glass compositions. Later activities were focused on refining the test parameters to establish a standard test practice to be used between Laboratories and collecting additional data to be used in the enhanced waste glass model development. This document serves primarily to convey the refractory loss measurement results from corrosion testing of K-3 refractory with waste glass compositions developed for use in the WTP melters. The data will be used in the enhanced property/composition models being developed for waste glass vitrification and melter operations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Corrosion Testing of Refractory in Contact with Molten Glasses Designed for Waste Vitrification - HAL24 M1 Matrix Glasses

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF). The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Confinement Exploiting Arrays of Cross-Flow Turbines (ConExT) (Final Scientific/Technical Report)

Final technical report for the ARPA-E SHARKS project: Confinement Exploiting Arrays of Cross-Flow Turbines (ConExT). This involved collaboration by the University of Washington, University of Wisconsin, National Renewable Energy Laboratory, and Oberon Insights. Cost-effective, large-scale utilization of tidal and river current resources requires turbine arrays. Most array concepts involve multiple, staggered rows of turbines analogous to wind farms. However, in water, turbines that have an appreciable projected area (i.e., the projected area over a full revolution) relative to a channel’s cross-sectional area can theoretically extract far more energy than when operating in isolation. This suggests substantial benefits to a confinement-exploiting approach to array layout, in which turbines are more densely clustered in a single row spanning a channel. The objective of this project was to move this concept from theory to practice, as well as establishing environmental and economic trade-offs. This objective was accomplished through scale-model experimentation, high-fidelity computational fluid dynamic simulation, and integrated techno-economic modeling.

16 TIDAL AND WAVE POWER↗

Satellite-based Investigation of Power-Line Vegetation Encroachment in the US (SILVANUS)

Rapid wide-area assessments of vegetation encroachment on transmission and distribution line rights-of-way (ROW) is a highly desirable capability for understanding risks to the power grid during severe weather and wildfire events. Conventional assessments are time-consuming and expensive due to the need for in-situ inspections and the use of aerial assets. Performing conventional assessments on a wide area would require immense resources and time that might not be available within the horizon of an expected adverse event. Developing a capability to accurately assess vegetation encroachment into ROWs will enable faster analysis of potential grid vulnerabilities in NAERM. This project sought to develop a prototype capability for rapid ROW vegetation encroachment assessments by using Puerto Rico as a test case. Puerto Rico is a heavily forested island territory frequently impacted by tropical cyclones that threaten the electric grid by downing trees across transmission and distribution lines. Multispectral satellite imagery (MSI) enable very high resolution (i.e., 0.5 - 2 meter) assessment of vegetation conditions at scale and with revisit times appropriate for regular monitoring (e.g., weekly to quarterly, depending on cloud cover) of the entire island. Synthetic aperture radar (SAR) data from satellites was also investigated as solution to the cloud-cover issue as they are active sensors that emit and receive a microwave signal rather than relying on solar illumination, and are therefore unaffected by cloud cover and can collect data during day or night. Finally, MSI-derived digital surface models (DSMs) map the height of objects relative to sea level, and were assessed for their ability to estimate the height of forest canopies relative to coincident transmission lines. The results of the mapping investigation are described in this report.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Corrosion Testing of Refractory in Contact with Molten Glasses Designed for Waste Vitrification – VSL Touchpoint Matrix Glasses (Revision 1)

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF).[1] The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Utilizing CellBox to Describe Varied Dynamical Systems

CellBox is a hybrid modeling framework that integrates machine-learning approaches with explicit mathematical modeling to determine the behavior of dynamical systems, intended for determining the complex interactions of molecule and phenotype within a cellular environment using perturbation/response-based data. The original work utilized analysis of a melanoma cell line, SK-Mel-133, which we sought to expand to and evaluate effectiveness in describing other nonlinear systems both within and outside of biology. We evaluated with two models. One model is based upon the free-fall of an object under a velocity-dependent drag force; this produced inherent perturbation/response data. The other model is based upon a form of mass-action molecular kinetics; for this, we ran the simulation to steady state in each species for each perturbation and select the steady state as input for CellBox. We determined that CellBox, outside of its original use case, can still strongly predict even non-biological dynamical systems in the small-perturbation regime, with r = 0.99977 to 0.85123, p < 0.05 for freefall. However, CellBox cannot accurately predict behavior within large-perturbation regimes, p >> 0.05 for freefall. In addition, we performed a naïve comparison of CellBox network structure to known network structure in the mass-action model to assess accuracy.

97 MATHEMATICS AND COMPUTING↗

A New Orbit for the Eclipsing Binary V577 Oph

Pulsating stars in eclipsing binary systems are unique objects for providing constraints on stellar models. To fully leverage the information available from the binary system, full orbital radial velocity curves must be obtained. We report 23 radial velocities for components of the eclipsing binary V577 Oph, whose primary star is a δ Sct variable. The velocities cover a nearly complete orbit and a time base of 20 years. We computed orbital elements for the binary and compared them to the ephemeris computed by Creevey et al. The comparison shows marginally different results. In particular, a change in the systemic velocity by −2 km s{sup −1} is suggested by our results. We compare this systemic velocity difference to that expected due to reflex motion of the binary in response to the third body in the system. The systemic velocity difference is consistent with reflex motion, given our mass determination for the eclipsing binary and the orbital parameters determined by Volkov and Volkova for the three-body orbit. We see no evidence for the third body in our spectra, but we do see strong interstellar Na D lines that are consistent in strength with the direction and expected distance of V577 Oph.

79 ASTRONOMY AND ASTROPHYSICS↗

GMRT Low-frequency Imaging of an Extended Sample of X-shaped Radio Galaxies

We present a low-frequency imaging study of an extended sample of X-shaped radio sources using the Giant Metrewave Radio Telescope (GMRT) at two frequencies (610 and 240 MHz). The sources were drawn from a Very Large Array Radio Images of the Sky at Twenty-Centimeters (FIRST) selected sample and extend an initial GMRT study at the same frequencies of 12 X-shaped radio galaxies predominantly from the 3CR catalog (Lal and Rao 2007). Both the intensity maps and spectral index maps of the 16 newly observed sources are presented. With the combined sample of 28 X-shaped radio sources, we found no systematic differences in the spectral properties of the higher surface brightness, active lobes versus the lower surface brightness, or off-axis emission. The properties of the combined sample are discussed, including the possible role of a twin active galactic nuclei model in the formation of such objects.

79 ASTRONOMY AND ASTROPHYSICS↗

Chandra Survey of Nearby Galaxies: The Catalog

We searched the public archive of the Chandra X-ray Observatory as of 2016 March and assembled a sample of 719 galaxies within 50 Mpc with available Advanced CCD Imaging Spectrometer observations. By cross-correlation with the optical or near-infrared nuclei of these galaxies, 314 of them are identified to have an X-ray active galactic nucleus (AGN). The majority of them are low-luminosity AGNs and are unlikely X-ray binaries based upon their spatial distribution and luminosity functions. The AGN fraction is around 60% for elliptical galaxies and early-type spirals, but drops to roughly 20% for Sc and later types, consistent with previous findings in the optical. However, the X-ray survey is more powerful in finding weak AGNs, especially from regions with active star formation that may mask the optical AGN signature. For example, 31% of the H ii nuclei are found to harbor an X-ray AGN. For most objects, a single power-law model subject to interstellar absorption is adequate to fit the spectrum, and the typical photon index is found to be around 1.8. For galaxies with a non-detection, their stacked Chandra image shows an X-ray excess with a luminosity of a few times 10{sup 37} erg s{sup −1} on average around the nuclear region, possibly composed of faint X-ray binaries. This paper reports on the technique and results of the survey; in-depth analysis and discussion of the results will be reported in forthcoming papers.

79 ASTRONOMY AND ASTROPHYSICS↗

Blazar Jets Perturbed by Magneto-gravitational Stresses in Supermassive Binaries

We study particle acceleration and radiative processes in blazar jets under recurring conditions set by gravitational perturbations in supermassive binary systems. We consider the action from a companion orbiting a primary black hole of ∼10{sup 8} M{sub ⊙}, and perturbing its relativistic jet. We discuss how such conditions induce repetitive magneto-hydrodynamic stresses along the jet, and affect its inner electron acceleration and radiative processes. Specifically, we study how macroscopic perturbations related to increased jet “magnetization” end up in higher radiative outputs in the optical, X-ray, and gamma-ray bands. We first find an increase in magnetic field strength, as gauged in the optical band from the synchrotron emission of electrons accelerated in kinetic processes stimulated by reconnecting magnetic lines. The energetic electrons then proceed to up-scatter the synchrotron photons to GeV energies after the canonical synchrotron self-Compton radiation process. Our model implies a specific recurring pattern in the optical to gamma-ray emissions, made of high peaks and wide troughs. Progressing accelerations caused by spreading reconnections will produce an additional synchrotron keV component. Such outbursts provide a diagnostics for enhanced acceleration of electrons, which can up-scatter photons into the TeV range. We discuss how our model applies to the BL Lac object PG 1553+113, arguably the best candidate to now for high amplitude, recurring modulations in its gamma-ray emissions. We also consider other BL Lacs showing correlated keV–TeV radiations such as Mrk 421.

79 ASTRONOMY AND ASTROPHYSICS↗